4-amino-N-cyclopropylbenzamide

• ChemBase ID: 26845
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: C(=O)(NC1CC1)c1ccc(N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N)NC1CC1
• InChI: InChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6,11H2,(H,12,13)
• InChIKey: TZPIKGCQLFRHGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclopropylbenzamide
• IUPAC Traditional name: 4-amino-N-cyclopropylbenzamide
• Synonyms: 4-Amino-N-cyclopropylbenzamide

Database IDs

• CAS Number: 38681-77-5
• MDL Number: MFCD01666630
• PubChem SID: 160990152
• PubChem CID: 38082

CALCULATED PROPERTIES

• Acid pKa: 15.854335
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6808688
• LogD (pH = 7.4): 0.6841586
• Log P: 0.68420076
• Molar Refractivity: 51.9447 cm^3
• Polarizability: 19.094078 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.308

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%